alpha-Isobutylpyridine-2-acetonitrile

Base Information

Chemical Name:alpha-Isobutylpyridine-2-acetonitrile
CAS No.:78833-04-2
Molecular Formula:C11H14 N2
Molecular Weight:174.246
Hs Code.:
European Community (EC) Number:278-990-0
DSSTox Substance ID:DTXSID001000069
Nikkaji Number:J319.184B
Mol file:78833-04-2.mol

Synonyms:78833-04-2;alpha-Isobutylpyridine-2-acetonitrile;4-methyl-2-pyridin-2-ylpentanenitrile;4-METHYL-2-(PYRIDIN-2-YL)PENTANENITRILE;EINECS 278-990-0;starbld0031005;SCHEMBL11226593;DTXSID001000069;NS00060700

Suppliers and Price of alpha-Isobutylpyridine-2-acetonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of alpha-Isobutylpyridine-2-acetonitrile

Chemical Property:

Vapor Pressure:0.00501mmHg at 25°C
Boiling Point:275.7°C at 760 mmHg
Flash Point:103.6°C
PSA：36.68000
Density:0.989g/cm³
LogP:2.73488
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:174.115698455
Heavy Atom Count:13
Complexity:190

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C#N)C1=CC=CC=N1

Technology Process of alpha-Isobutylpyridine-2-acetonitrile

There total 3 articles about alpha-Isobutylpyridine-2-acetonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

: 22346-07-2
4-methyl-2-(2-pirydyl)-2-pentenenitrile

: 78833-04-2
4-methyl-2-(2-pyridyl)pentanenitrile

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr; Ambient temperature;
DOI:10.1021/jm00357a026

Reference yield:

: 2739-97-1
pyridine-2-acetonitrile

: 78833-04-2
4-methyl-2-(2-pyridyl)pentanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / acetic acid, piperidine / benzene / 3 h / Heating

2: 99 percent / H₂ / 5 percent Pd/C / ethanol / 760 Torr / Ambient temperature

With piperidine; hydrogen; acetic acid; palladium on activated charcoal; In ethanol; benzene;
DOI:10.1021/jm00357a026